SCHEMBL3959433

SCHEMBL3959433

CC(C)(C)c1ccc(CC2NCCCn3cccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 2/20 0.44
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SIGMAR1 Q99720 6/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
HRH1 P35367 1/20 0.32
EBP Q15125 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
F2 P00734 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4047339 0.84 ALDH1A1 (0.49) ADRA2CKDM4EALDH1A1
SCHEMBL3949058 0.80 ADRA2C (0.67) ADRA2CKDM4EALDH1A1LMNATP53
SCHEMBL2425151 0.75 KDM4E (0.59) KDM4EALDH1A1TP53
SCHEMBL3955315 0.72 ADRA2C (0.56) ADRA2CKDM4EALDH1A1SIGMAR1TP53
SCHEMBL3958750 0.71 ALDH1A1 (0.68) ADRA2CKDM4EALDH1A1ADRA2AADRA2B
SCHEMBL11495279 0.71 KDM4E (0.50) ADRA2CKDM4EALDH1A1TP53
SCHEMBL4167500 0.69 SIGMAR1 (0.38) ADRA2CSIGMAR1ADRA2AADRA2BADRA1D
SCHEMBL2751725 0.68 KDM4E (0.54) ADRA2CKDM4EALDH1A1TP53HTT
SCHEMBL10223516 0.67 POLB (0.56) ADRA2CADRA2AADRA2BADRA1DHTR1D
SCHEMBL3953566 0.67 ADRA2C (0.64) ADRA2CKDM4EALDH1A1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009032754-A2 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-12 WO disclosed
WO-2009032754-A2 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-12 WO disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 US disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 US disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 ADRA2C 164/4885KDM4E 2542/4885ALDH1A1 4812/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.